2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole

C12H24N2 — CID 126695152

IUPAC2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole
SMILESCC1=C(C)N(C(C)C)C(C)N1C(C)C
InChIInChI=1S/C12H24N2/c1-8(2)13-10(5)11(6)14(9(3)4)12(13)7/h8-9,12H,1-7H3
InChIKeyNWIZXIOYOCILSG-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.02
Rot. Bonds2

About 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole

2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole (PubChem CID 126695152) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole
PubChem CID126695152
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole
SMILESCC1=C(C)N(C(C)C)C(C)N1C(C)C
InChIInChI=1S/C12H24N2/c1-8(2)13-10(5)11(6)14(9(3)4)12(13)7/h8-9,12H,1-7H3
InChIKeyNWIZXIOYOCILSG-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole (CID 126695152) is 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole is CC1=C(C)N(C(C)C)C(C)N1C(C)C.
What is the InChIKey of 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole?
The InChIKey is NWIZXIOYOCILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-8(2)13-10(5)11(6)14(9(3)4)12(13)7/h8-9,12H,1-7H3.
What are the key properties of 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole?
2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole has a molecular weight of 196.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1,3-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 126695152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).